SCHEMBL9502792

SCHEMBL9502792

COc1ccc(C[n+]2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
F2 P00734 2/20 0.42
PRSS1 P07477 1/20 0.42
CHKA P35790 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 3/20 0.40
HSP90AA1 P07900 1/20 0.40
BCHE P06276 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA4 P22748 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL565104 0.88 LTA4H (0.53) LTA4HF2PRSS1CHKASIGMAR1
Hydrochloric Acid SCHEMBL4740735 0.87 LTA4H (0.52) LTA4HALDH1A1F2PRSS1CHKA
SCHEMBL577509 0.83 LMNA (0.53) ALDH1A1LMNANPSR1F2PRSS1
SCHEMBL9248148 0.80 ALDH1A1 (0.46) LTA4HALDH1A1NPC1RAB9ACA4
SCHEMBL18775288 0.79 ALDH1A1 (0.60) LTA4HALDH1A1LMNAF2PRSS1
SCHEMBL12306074 0.78 CHKA (0.56) LTA4HALDH1A1LMNAF2PRSS1
SCHEMBL17417856 0.77 CA4 (0.59) LTA4HALDH1A1LMNANPSR1HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL20719782 0.77 KCNH2 (0.45) LTA4HALDH1A1ACHEHSP90AA1
Bromide SCHEMBL7860384 0.76 CHKA (0.58) LTA4HALDH1A1LMNAF2PRSS1
SCHEMBL8968392 0.76 KDM4E (0.58) ALDH1A1LMNANPSR1HSD17B10HSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP claimed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO claimed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US claimed
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP disclosed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed